Geometry & MOs

Info

ID:	49128
PubChem CID:	11528740
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	230.167065
ΔH_f, kcal/mol:	34.63
Dipole, Da:	2.12
IP(EA), eV:	-8.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one

Drug info:

PubChemData

Smile

CCC1=C(N(C(=C1C)/C=C\2/C=CC=N2)C)OC

DOS

IR

Vibrations